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学者姓名：黄淑萍
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Abstract ：
Within the family of halide solid electrolytes (SEs), Li2ZrCl6 demonstrates high oxidative stability, cost-effectiveness, and mechanical deformability, positioning it as a promising candidate for SEs. However, the application of Li2ZrCl6 as a SEs was hindered by its low ionic conductivity at room temperature. Current strategies to enhance the ionic conductivity of Li2ZrCl6 primarily are focused on single cation or anion sublattice-engineering, each with distinct advantages and limitations. Here, we propose a novel cation and anion-sublattice-engineering strategy, termed CASE, to increase the amorphous content and thus enhance ionic conductivity. The incorporation of Cu2+ and O2- induces distinctive structural modifications within Li2ZrCl6. This structure corroborated through analytic data of X-ray absorption spectroscopy, the neutron diffraction, and ab initio molecular dynamics. Consequently, the amorphous Li2.1Zr0.95Cu0.05Cl4.4O0.8 achieves an enhanced ionic conductivity of 2.05 mS cm-1 at 25 degrees C. Furthermore, all-solid-state lithium batteries utilizing the amorphous Li2.1Zr0.95Cu0.05Cl4.4O0.8 as an electrolyte and LiNi0.83Co0.11Mn0.06O2 as a cathode exhibit a superior long-term cycling stability retaining 90.3% of capacity after 1000 cycles at 2 C under room temperature, which are much higher than those of Zr-based halide electrolytes in publications. Such a result might stimulate the development of more amorphous structures with high ionic conductivity in the CASE strategy.
Keyword ：
Cation-anion sublattice engineering Cation-anion sublattice engineering Electrochemical property Electrochemical property Halide solid electrolytes Halide solid electrolytes Ionic conductivity all-solid-state lithium batteries Ionic conductivity all-solid-state lithium batteries
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| GB/T 7714 | Li, Zongnan , Mu, Yongbiao , Lu, Kunxi et al. Cation-Anion-Engineering Modified Oxychloride Zr-Based Lithium Superionic Conductors for All-Solid-State Lithium Batteries [J]. | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (23) . |
| MLA | Li, Zongnan et al. "Cation-Anion-Engineering Modified Oxychloride Zr-Based Lithium Superionic Conductors for All-Solid-State Lithium Batteries" . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64 . 23 (2025) . |
| APA | Li, Zongnan , Mu, Yongbiao , Lu, Kunxi , Kang, Guojian , Yang, Ting , Huang, Shuping et al. Cation-Anion-Engineering Modified Oxychloride Zr-Based Lithium Superionic Conductors for All-Solid-State Lithium Batteries . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (23) . |
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Photodynamic immunotherapy (PIT) has emerged as a promising approach for efficient eradication of primary tumors and inhibition of tumor metastasis. However, most of photosensitizers (PSs) for PIT exhibit notable oxygen dependence. Herein, a concept emphasizing on transition from molecular PSs into semiconductor-like photocatalysts is proposed, which converts the PSs from type II photoreaction to efficient type I photoreaction. Detailed mechanism studies reveal that the nanostructured phthalocyanine aggregate (NanoNMe) generates radical ion pairs through a photoinduced symmetry breaking charge separation process, achieving charge separation through a self-substrate approach and leading to exceptional photocatalytic charge transfer activity. Additionally, a reformed phthalocyanine aggregate (NanoNMO) is fabricated to improve the stability in physiological environments. NanoNMO showcases significant photocytotoxicities under both normoxic and hypoxic conditions and exhibits remarkable tumor targeting ability. Notably, the NanoNMO-based photodynamic therapy and PD-1 checkpoint inhibitor-based immunotherapy synergistically triggers the infiltration of cytotoxic T lymphocytes into the tumor sites of female mice, leading to the effective inhibition of breast tumor growth.
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| GB/T 7714 | Liu, Hao , Li, Ziqing , Zhang, Xiaojun et al. Phthalocyanine aggregates as semiconductor-like photocatalysts for hypoxic-tumor photodynamic immunotherapy [J]. | NATURE COMMUNICATIONS , 2025 , 16 (1) . |
| MLA | Liu, Hao et al. "Phthalocyanine aggregates as semiconductor-like photocatalysts for hypoxic-tumor photodynamic immunotherapy" . | NATURE COMMUNICATIONS 16 . 1 (2025) . |
| APA | Liu, Hao , Li, Ziqing , Zhang, Xiaojun , Xu, Yihui , Tang, Guoyan , Wang, Zhaoxin et al. Phthalocyanine aggregates as semiconductor-like photocatalysts for hypoxic-tumor photodynamic immunotherapy . | NATURE COMMUNICATIONS , 2025 , 16 (1) . |
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The oxidative dehydrogenation of propane (ODHP) represents a highly promising route for the industrial-scale production of propene. Non-metallic boron nitride (BN)-based materials, known for their high propene selectivity, have emerged as next-generation ODH catalysts. However, the real active sites on surfaces remain unclear due to the absence of visual experimental evidence. In this work, we introduce a chemical titration approach to clarify the active centers of NaOH modified BN (BN-NaOH) catalysts for ODHP. The BN-NaOH catalyst demonstrates outstanding performance, achieving over 90 % olefin selectivity and a stable propane conversion of 23.2 %. Notably, the turnover frequency (TOF) for B-OH sites reaching 1.2 h- 1, which significantly surpassed that of unmodified BN catalysts (0.6 h- 1). In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) analysis revealed that the formation of OH-nests on the BN-NaOH surface was primarily accountable for the enhanced reactivity. Moreover, the crucial role of these OH-nests during ODHP was further validated through selective chemical titration of B-OH groups using benzoic anhydride.
Keyword ：
Active sites Active sites Boron hydroxyl group Boron hydroxyl group In situ DRIFTS In situ DRIFTS Oxidative dehydrogenation of propane Oxidative dehydrogenation of propane
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| GB/T 7714 | Duan, Qiwei , Hu, Zhengli , Hu, Aoxue et al. Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis [J]. | CHEMICAL ENGINEERING SCIENCE , 2025 , 306 . |
| MLA | Duan, Qiwei et al. "Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis" . | CHEMICAL ENGINEERING SCIENCE 306 (2025) . |
| APA | Duan, Qiwei , Hu, Zhengli , Hu, Aoxue , Huang, Shuping , Chen, Ziyi , Yu, Kaihua et al. Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis . | CHEMICAL ENGINEERING SCIENCE , 2025 , 306 . |
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Under the background of surging global demand for batteries and scarcity of Li resources, sodium-ion batteries (SIBs) are attracting attention as a potential alternative with their unique advantages, and the layered transition metal (TM) oxides therein are considered to be one of the most promising cathode materials. In this paper, firstly, the diversity of cathode materials for SIBs is systematically introduced, as well as the layered oxide structures among them are categorized, and then it focuses on the O3-type sodium-rich Na2MO3, which is promising for large-scale commercial applications, illustrating the development and mechanism of anion redox. Excess Na transforms the TM layer into the mixed Na1/3M2/3O2 layer, leading to the formation of localized configuration Na-O-Na. Thereby, isolated nonhybridized O 2p states are introduced, which participate in the charge compensation process (O2-/On-) under high-voltage conditions and provide the battery with additional capacity beyond the cation redox reaction. Therefore, the Na2MO3 formed by its TM element located in different periods are classified, discussed and summarized in terms of structural change characteristics, electrochemical properties and anion-redox mechanism. However, this particular redox mechanism is also accompanied by the challenges such as voltage hysteresis, irreversible oxygen loss, TM migration, capacity decay and poor air stability. Therefore, to address these challenges, various improvement strategies have been proposed, including doping of large radius metal ions, light metal ions, TM ions with high covalency with O, nonmetal ions, formation of mixed phases, and surface modification. This work is expected to provide new ways to find and design novel high-capacity Na-rich layered oxide cathode materials.
Keyword ：
anionic redox anionic redox cathode Material cathode Material layered oxide layered oxide sodium-ion batteries sodium-ion batteries
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| GB/T 7714 | Yin, Junjun , Huang, Shuping . Progress of anion redox in Na-rich layered transition metal oxides (Na2MO3) as cathode materials for sodium-ion batteries [J]. | JOURNAL OF PHYSICS-CONDENSED MATTER , 2025 , 37 (11) . |
| MLA | Yin, Junjun et al. "Progress of anion redox in Na-rich layered transition metal oxides (Na2MO3) as cathode materials for sodium-ion batteries" . | JOURNAL OF PHYSICS-CONDENSED MATTER 37 . 11 (2025) . |
| APA | Yin, Junjun , Huang, Shuping . Progress of anion redox in Na-rich layered transition metal oxides (Na2MO3) as cathode materials for sodium-ion batteries . | JOURNAL OF PHYSICS-CONDENSED MATTER , 2025 , 37 (11) . |
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Carbon materials have stimulated tremendous interest in oxidative dehydrogenation (ODH) of alkane to olefin molecules at low temperature. Unfortunately, its further development has been seriously hindered due to the unsatisfactory catalytic performance. To tackle these challenges, nitrogen and phosphorus codoped hollow carbon prisms (NPC) are designed with controllable surface functional groups through supramolecular preassembly and substitution reaction from guanine and hexachlorotriphosphazene. The resultant catalysts can achieve both high catalytic activity (63 % conversion) and styrene selectivity (90 %) in ODH of ethylbenzene, outerperforming previous reported carbon-based catalysts. Structural characterizations, kinetics measurements and theoretical results unravel that nitrogen doping can promote nucleophilicity of -C--O, thus improving the catalytic activity. The phosphorus doping not only changes reaction rate-determining step from activation of O2 in N-doped carbon to activation of -C-H bond of EB in N,P-codoped carbon, but also inhibits the formation of electrophilic oxygen species, which enhances selectivity of styrene. The current work provides a facile strategy for preparation of functional NPC catalyst and physical-chemical insights on the structure-activity relationship of NPC catalysts, paving the way for further development of the highly efficient non-metallic catalytic systems.
Keyword ：
Carbon prism Carbon prism Catalytic mechanism Catalytic mechanism Guanine Guanine Heteroatom doping Heteroatom doping Oxidative dehydrogenation Oxidative dehydrogenation
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| GB/T 7714 | Zhang, Xuefei , Hu, Aoxue , Li, Shuchun et al. N, P codoped hollow carbon prisms for efficient oxidative dehydrogenation reaction with both enhanced activity and selectivity [J]. | CHEMICAL ENGINEERING JOURNAL , 2024 , 486 . |
| MLA | Zhang, Xuefei et al. "N, P codoped hollow carbon prisms for efficient oxidative dehydrogenation reaction with both enhanced activity and selectivity" . | CHEMICAL ENGINEERING JOURNAL 486 (2024) . |
| APA | Zhang, Xuefei , Hu, Aoxue , Li, Shuchun , Feng, Ruiping , Huang, Shuping , Xie, Zailai . N, P codoped hollow carbon prisms for efficient oxidative dehydrogenation reaction with both enhanced activity and selectivity . | CHEMICAL ENGINEERING JOURNAL , 2024 , 486 . |
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Inorganic mixed-halogen perovskites exhibit excellent photovoltaic properties and stability; yet, their photoelectric conversion efficiency is limited by inherent surface defects. In this work, we study the impact of defects on properties of CsPbI2Br slabs using first-principles calculations, focusing on specific defects such as I vacancy (V-I), I interposition (I-i), and I substitution by Pb (Pb-I). Our findings reveal that these defects affect the geometric and optoelectronic properties as well as dynamics of charge carriers of slabs. We employ two theoretical frameworks (surface hopping and Redfield theory) of nonadiabatic molecular dynamics simulations to comprehensively study relaxation processes and obtain consistent results. The presence of V-I reduces carrier lifetimes, while the influence of Pb-I on carrier lifetimes is negligible. In contrast, I-i defects lead to prolonged carrier lifetimes. These insights provide valuable guidance for the rational design of perovskite photovoltaic devices, aiming to enhance their efficiency and stability.
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| GB/T 7714 | Liu, Bao , Wang, Zhaoxin , Huang, Shuping et al. Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2024 , 15 (18) : 4782-4791 . |
| MLA | Liu, Bao et al. "Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 15 . 18 (2024) : 4782-4791 . |
| APA | Liu, Bao , Wang, Zhaoxin , Huang, Shuping , Han, Yulun , Kilin, Dmitri S. . Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2024 , 15 (18) , 4782-4791 . |
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Cr3+ doped garnet-type (A(3)B(2)C(3)O(12)) near-infrared (NIR) phosphors is a desirable research hotspot due to their prospective night vision, bioimaging, and plant growth utilizations. Meanwhile, the origin of multisite broad emission is yet a controversial topic. To resolve the trouble, verifying accurately the multiple Cr3+ occupancy sites is a key. Furthermore, it is an urgent need for improving the external quantum efficiency and luminescent thermostability. Herein, in Y3Sc2Al3O12 (YSAO), advanced electron microscopy technique is employed to directly confirm that the obtained broadband NIR emission originates from Cr3+ in [ScO6] octahedral and [YO8] dodecahedral sites. The optimal YSAO:5%Cr3+ sample exhibits high quantum efficiency (IQE/EQE = 74/31%) and near-zero thermal quenching (97%@423 K and 92%@473 K). The theoretical calculations and experimental proofs reveal that YSAO possesses high structural rigidity and wide bandgap, which is responsible for the extremely thermostable luminescence. The high-power YSAO:5%Cr3+-converted NIR LED device shows promising multifunctional applications. This work not only provides an efficient NIR broadband phosphor with near-zero thermal quenching, but also provides an effective determination method for the multiple emitting centers of phosphor materials.
Keyword ：
garnet garnet multiple occupancy sites of Cr3+ multiple occupancy sites of Cr3+ near-zero thermal quenching near-zero thermal quenching NIR pc-LED NIR pc-LED NIR phosphors NIR phosphors
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| GB/T 7714 | Li, Hong , Jiao, Jingkai , Xiang, Xianfeng et al. Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor [J]. | ADVANCED OPTICAL MATERIALS , 2024 , 12 (11) . |
| MLA | Li, Hong et al. "Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor" . | ADVANCED OPTICAL MATERIALS 12 . 11 (2024) . |
| APA | Li, Hong , Jiao, Jingkai , Xiang, Xianfeng , Wu, Jianze , Hu, Wanbiao , Xie, Jiyang et al. Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor . | ADVANCED OPTICAL MATERIALS , 2024 , 12 (11) . |
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A novel series of donor-donor-pi-acceptor (D-D-pi-A) 9,9 '-dihexylfluorene-based dianchoring organic dyes, each featuring distinct bridging electron-donating moieties, have been synthesized and characterized. Their performances in photocatalytic hydrogen evolution (PHE) were evaluated, taking into account of their photophysical and electrochemical attributes. Remarkably, (Z)-3-(5-(4-((4-(5-((E)-2-carboxy-2-cyanovinyl)thiophen-2-yl)phenyl)(9,9-dihexyl-9H-fluoren-2-yl)amino)phenyl)thiophen-2-yl)-2-cyanoacrylic acid achieved an active and robust H-2 generation system with a turnover number (TON) of up to 17 400 in 126 h, with a production of 1090 mu mol (26.3 mL) of hydrogen. The initial turnover frequency (TOFi), initial activity (activity(i)), and initial apparent quantum yield (AQY(i)) were 808 h(-1), 505 mmol g(-1) h(-1), and 8.65%, respectively, under visible light irradiation in water. This photosensitizer is considered one of the most effective and durable systems for photocatalytic hydrogen production that attached to molecular Pt-TiO2, as stated out in the literature using organic dyes under visible light, when compared the TOF and TON values. The experimental results demonstrated that the dianchoring dyes with bridging units could significantly enhance PHE performance, maintaining justifiable durability over prolonged irradiation.
Keyword ：
dianchoring dianchoring fluorene derivative fluorene derivative hydrogen generation hydrogen generation photocatalysis photocatalysis photosensitizers photosensitizers
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| GB/T 7714 | Fan, Linyu , Wen, Yudong , Kwong, Wai-Hang et al. High-Performance Photocatalytic Hydrogen Generation Using Robust Dianchoring Photosensitizers [J]. | ACS APPLIED MATERIALS & INTERFACES , 2024 , 16 (41) : 55437-55451 . |
| MLA | Fan, Linyu et al. "High-Performance Photocatalytic Hydrogen Generation Using Robust Dianchoring Photosensitizers" . | ACS APPLIED MATERIALS & INTERFACES 16 . 41 (2024) : 55437-55451 . |
| APA | Fan, Linyu , Wen, Yudong , Kwong, Wai-Hang , He, Xiaojie , Wei, Ying , Kwok, Yan Yi et al. High-Performance Photocatalytic Hydrogen Generation Using Robust Dianchoring Photosensitizers . | ACS APPLIED MATERIALS & INTERFACES , 2024 , 16 (41) , 55437-55451 . |
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Electroactive asymmetric bis-carbazole small molecules bearing cyano functional group(s) were conveniently synthesized and fully characterized by physicochemical and electrochemical methods. These carbazole-based small molecules are colorless in the neutral states and possess reversible redox processes and outstanding thermal stability. The utilization of these bis-carbazole small molecules as the electrochromic materials for the fabrication of electrochromic devices (ECDs) provided high-performance ECDs of high optical contrast up to 99% switching between colorless bleaching state and dark-red colored state and excellent coloration efficiencies of 412 cm2/C. The present work illuminates the excellent qualification of functionalized carbazole-based small molecules in developing efficient ECDs.
Keyword ：
Carbazole derivatives Carbazole derivatives Cyano functionalization Cyano functionalization Electrochromic devices Electrochromic devices Electrochromism Electrochromism Smart windows Smart windows
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| GB/T 7714 | Li, Meng -Die , Zhang, Ying-Hui , Yin, Junjun et al. Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism [J]. | DYES AND PIGMENTS , 2024 , 226 . |
| MLA | Li, Meng -Die et al. "Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism" . | DYES AND PIGMENTS 226 (2024) . |
| APA | Li, Meng -Die , Zhang, Ying-Hui , Yin, Junjun , Huang, Shuping , Dai, Feng-Rong , Chen, Zhong-Ning . Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism . | DYES AND PIGMENTS , 2024 , 226 . |
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Our density functional theory calculations reveal that CrX3 (X = Cl, Br, I) is ferromagnetic, exhibiting remarkable stability, electrical conductivity, and mechanical properties. Notably, CrX3 monolayer exhibit low diffusion barriers when employed as anode materials for lithium, sodium, and potassium ion batteries. Specifically, the diffusion barriers in CrX3 monolayer range from 0.145 to 0.216 eV for lithium-ion, 0.185-0.199 eV for Na-ion, and 0.067 eV for K-ion. Furthermore, CrCl3 as an anode material for sodium-ion batteries, has a theoretical specific capacity of up to 1420 mAh/g, significantly exceeding that of hard carbon materials widely used in sodium-ion batteries, which usually have a specific capacity of only between 300 and 400 mAh/g. These findings suggest that CrX3 monolayer hold significant potential as ideal replacements for metal-ion battery anodes.
Keyword ：
Anode materials Anode materials Density functional theory Density functional theory Metal-ion batteries Metal-ion batteries Two dimensional materials Two dimensional materials
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| GB/T 7714 | Wu, Jianze , Yin, Junjun , Huang, Shuping . CrX3 (X = Cl, Br, I) monolayer as a promising anode for alkali metal ion batteries [J]. | JOURNAL OF ENERGY STORAGE , 2024 , 101 . |
| MLA | Wu, Jianze et al. "CrX3 (X = Cl, Br, I) monolayer as a promising anode for alkali metal ion batteries" . | JOURNAL OF ENERGY STORAGE 101 (2024) . |
| APA | Wu, Jianze , Yin, Junjun , Huang, Shuping . CrX3 (X = Cl, Br, I) monolayer as a promising anode for alkali metal ion batteries . | JOURNAL OF ENERGY STORAGE , 2024 , 101 . |
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